==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUL-11 3T13 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR B.M.DOCTROW,J.L.SCHLESSMAN,B.GARCIA-MORENO E.,A.HEROUX . 259 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 24.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 12 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 2 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 6 A K 0 0 223 0, 0.0 2,-0.2 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 152.7 -2.2 9.8 -15.3 2 7 A L - 0 0 44 62,-0.1 2,-0.3 107,-0.0 64,-0.1 -0.547 360.0-157.0 -81.4 154.5 0.4 8.2 -13.1 3 8 A H - 0 0 129 62,-0.3 62,-0.5 -2,-0.2 2,-0.3 -0.994 13.7-129.1-132.2 138.9 3.5 6.8 -14.7 4 9 A K - 0 0 95 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.712 27.6-167.0 -84.9 137.4 6.0 4.1 -13.4 5 10 A E E -A 63 0A 48 58,-2.7 58,-2.8 -2,-0.3 -2,-0.0 -0.969 24.0-103.4-123.0 146.3 9.6 5.1 -13.6 6 11 A P E +A 62 0A 41 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.249 41.6 169.1 -65.3 152.8 12.7 3.0 -13.2 7 12 A A E -A 61 0A 3 54,-1.9 54,-0.6 15,-0.1 2,-0.4 -0.963 25.9-131.5-153.1 162.4 14.8 3.0 -9.9 8 13 A T E -B 21 0A 46 13,-1.9 13,-3.1 -2,-0.3 2,-0.2 -0.976 27.5-113.5-119.1 134.9 17.6 0.9 -8.5 9 14 A L E +B 20 0A 40 -2,-0.4 11,-0.2 195,-0.3 3,-0.1 -0.447 35.4 169.2 -63.6 127.5 17.6 -0.5 -4.9 10 15 A I E - 0 0 70 9,-2.4 2,-0.3 1,-0.2 10,-0.2 0.770 69.0 -25.5 -96.7 -55.2 20.3 1.1 -2.7 11 16 A K E -B 19 0A 127 8,-2.0 8,-3.4 0, 0.0 2,-0.3 -0.914 53.2-127.2-159.8 138.2 19.2 -0.3 0.7 12 17 A A E -B 18 0A 11 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.665 27.7-177.8 -83.3 138.9 15.9 -1.5 2.2 13 18 A I - 0 0 78 4,-1.8 2,-0.2 1,-0.4 5,-0.2 0.852 51.7 -40.1-107.2 -54.9 15.5 0.4 5.5 14 19 A D S S- 0 0 19 3,-2.2 -1,-0.4 33,-0.1 3,-0.3 -0.694 79.7 -58.2-154.3-160.6 12.3 -0.8 7.1 15 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 1,-0.2 77,-0.1 0.867 131.8 17.6 -63.0 -33.5 8.7 -2.0 6.3 16 21 A D S S+ 0 0 3 21,-0.1 15,-2.7 20,-0.1 2,-0.4 0.319 115.1 69.5-126.0 12.1 7.7 1.3 4.7 17 22 A T E + C 0 30A 10 -3,-0.3 -3,-2.2 13,-0.2 -4,-1.8 -0.999 51.0 170.0-134.4 136.8 10.9 3.1 3.9 18 23 A V E -BC 12 29A 2 11,-2.3 11,-3.5 -2,-0.4 2,-0.6 -0.994 29.5-129.9-147.0 141.0 13.5 2.2 1.2 19 24 A K E +BC 11 28A 75 -8,-3.4 -9,-2.4 -2,-0.3 -8,-2.0 -0.884 35.3 175.6 -99.1 125.3 16.5 4.0 -0.2 20 25 A L E -BC 9 27A 0 7,-2.7 7,-2.8 -2,-0.6 2,-0.7 -0.929 38.0-120.8-125.1 150.2 16.6 4.0 -4.1 21 26 A M E -BC 8 26A 70 -13,-3.1 -13,-1.9 -2,-0.3 2,-0.5 -0.829 40.1-178.7 -83.2 114.1 18.7 5.5 -6.8 22 27 A Y E > - C 0 25A 28 3,-3.3 3,-1.1 -2,-0.7 -15,-0.1 -0.977 67.8 -15.3-124.4 119.9 16.2 7.7 -8.7 23 28 A K T 3 S- 0 0 159 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.873 128.7 -55.6 49.6 43.6 17.3 9.6 -11.7 24 29 A G T 3 S+ 0 0 57 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.1 0.638 120.4 105.3 70.8 15.1 21.0 9.0 -10.6 25 30 A Q E < S-C 22 0A 129 -3,-1.1 -3,-3.3 -5,-0.0 2,-0.4 -0.987 73.4-122.4-127.6 131.2 20.4 10.6 -7.2 26 31 A P E +C 21 0A 74 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.651 40.7 172.6 -75.6 136.7 20.0 8.5 -4.0 27 32 A M E -C 20 0A 49 -7,-2.8 -7,-2.7 -2,-0.4 2,-0.5 -0.997 33.1-126.7-142.9 146.0 16.7 9.2 -2.3 28 33 A T E -C 19 0A 39 -2,-0.3 49,-2.4 47,-0.3 2,-0.4 -0.809 29.0-157.9 -92.7 128.8 14.8 7.8 0.6 29 34 A F E -Cd 18 77A 0 -11,-3.5 -11,-2.3 -2,-0.5 2,-0.5 -0.887 9.2-158.2-105.5 144.5 11.3 6.8 -0.3 30 35 A R E -Cd 17 78A 36 47,-3.0 49,-1.4 -2,-0.4 2,-0.3 -0.959 30.9-115.1-115.7 127.2 8.3 6.4 2.0 31 36 A L E > - d 0 79A 3 -15,-2.7 3,-0.9 -2,-0.5 49,-0.2 -0.472 32.2-118.1 -65.4 131.9 5.5 4.1 0.7 32 37 A L T 3 S+ 0 0 7 47,-2.5 49,-0.1 -2,-0.3 -1,-0.1 -0.294 83.2 2.8 -66.9 143.9 2.2 6.0 0.1 33 38 A L T 3 S+ 0 0 8 69,-0.3 68,-2.2 74,-0.1 2,-0.3 0.477 106.9 91.7 64.9 20.4 -0.9 5.1 2.0 34 39 A V E < -H 100 0B 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.970 52.2-158.7-143.0 150.2 0.5 2.4 4.3 35 40 A D E -H 99 0B 70 64,-2.5 64,-2.1 -2,-0.3 3,-0.1 -0.960 10.5-168.7-128.8 110.6 1.9 2.3 7.8 36 41 A T - 0 0 7 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.660 37.8 -94.2 -83.4 154.3 4.1 -0.7 8.8 37 42 A P - 0 0 16 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.307 47.2-100.4 -60.1 149.0 5.0 -1.1 12.5 38 43 A E > - 0 0 93 1,-0.1 3,-2.4 -24,-0.1 6,-0.2 -0.389 39.0-103.6 -69.8 151.1 8.4 0.4 13.4 39 50 A F T 3 S+ 0 0 127 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.867 122.7 52.9 -47.2 -35.7 11.2 -2.2 13.6 40 51 A N T 3 S+ 0 0 136 4,-0.2 -1,-0.3 3,-0.1 2,-0.2 0.434 100.2 81.3 -84.7 6.3 11.1 -2.2 17.4 41 52 A E S X S- 0 0 103 -3,-2.4 3,-2.4 1,-0.1 2,-0.0 -0.635 99.6 -75.3-109.8 160.5 7.3 -2.9 17.4 42 53 A K T 3 S+ 0 0 168 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.352 121.9 11.4 -59.1 133.3 5.3 -6.2 17.0 43 54 A Y T 3> S+ 0 0 36 -4,-0.1 4,-2.6 -7,-0.1 -1,-0.3 0.356 98.5 112.3 73.9 -0.1 5.4 -7.2 13.3 44 55 A G H <> S+ 0 0 0 -3,-2.4 4,-2.8 -6,-0.2 -5,-0.2 0.942 77.4 43.4 -64.8 -50.6 8.0 -4.6 12.6 45 56 A P H > S+ 0 0 54 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.908 115.1 51.8 -63.0 -37.0 10.8 -7.1 11.9 46 57 A E H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 111.2 45.7 -64.7 -43.5 8.4 -9.1 9.8 47 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.934 113.6 49.8 -65.1 -40.1 7.4 -6.1 7.8 48 59 A S H X S+ 0 0 17 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.923 112.0 48.1 -62.7 -46.6 11.0 -5.0 7.3 49 60 A A H X S+ 0 0 56 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.896 111.5 51.6 -59.4 -42.2 11.9 -8.5 6.2 50 61 A F H X S+ 0 0 53 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.950 112.9 41.9 -61.8 -50.3 9.0 -8.6 3.8 51 62 A T H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.925 114.2 53.5 -66.7 -41.0 9.8 -5.3 2.1 52 63 A K H X S+ 0 0 95 -4,-2.8 4,-2.7 -5,-0.3 5,-0.3 0.934 111.4 44.9 -55.6 -50.5 13.5 -6.2 2.0 53 64 A K H X S+ 0 0 142 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.928 112.8 51.3 -63.7 -45.9 13.0 -9.5 0.3 54 65 A M H X S+ 0 0 40 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.910 117.5 37.2 -60.2 -46.0 10.5 -8.1 -2.2 55 66 A V H < S+ 0 0 3 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.855 117.3 49.7 -76.6 -34.2 12.7 -5.2 -3.4 56 67 A E H < S+ 0 0 55 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.836 115.7 43.1 -71.4 -34.5 16.1 -7.1 -3.2 57 68 A N H < S+ 0 0 46 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.532 89.5 106.1 -91.4 -8.3 14.7 -10.1 -5.2 58 69 A G < - 0 0 9 -4,-0.6 3,-0.2 -3,-0.2 85,-0.0 -0.433 60.8-149.5 -67.9 143.2 12.8 -8.1 -7.9 59 70 A K S S+ 0 0 24 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.843 88.2 27.5 -77.5 -37.3 14.4 -7.9 -11.4 60 71 A K - 0 0 78 145,-0.0 24,-2.8 -52,-0.0 25,-0.4 -0.966 69.0-164.3-134.2 121.7 12.9 -4.4 -12.0 61 72 A I E -AE 7 83A 9 -54,-0.6 -54,-1.9 -2,-0.4 2,-0.3 -0.816 14.3-177.2-104.0 134.2 12.1 -1.8 -9.3 62 73 A E E -AE 6 82A 35 20,-2.1 20,-2.8 -2,-0.4 2,-0.4 -0.982 16.5-149.0-130.1 151.3 9.8 1.1 -10.3 63 74 A V E -AE 5 81A 0 -58,-2.8 -58,-2.7 -2,-0.3 2,-0.4 -0.906 8.0-167.9-115.3 143.0 8.5 4.2 -8.5 64 75 A E E - E 0 80A 16 16,-2.2 16,-2.7 -2,-0.4 -60,-0.2 -0.939 10.3-153.7-132.4 106.1 5.1 5.8 -9.3 65 76 A F E - E 0 79A 26 -62,-0.5 -62,-0.3 -2,-0.4 14,-0.2 -0.488 16.0-133.5 -71.5 151.8 4.5 9.2 -7.8 66 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.256 28.6 -92.9 -94.8-167.4 0.9 10.2 -7.2 67 78 A K S S+ 0 0 127 39,-0.3 40,-0.1 -2,-0.1 3,-0.1 0.524 100.5 64.5 -91.6 -5.1 -0.9 13.4 -8.0 68 79 A G S S- 0 0 15 1,-0.3 38,-0.2 36,-0.1 37,-0.1 0.001 106.5 -27.5-103.2-160.1 -0.4 15.2 -4.7 69 80 A Q - 0 0 98 36,-1.6 -1,-0.3 35,-0.1 -3,-0.2 -0.298 52.8-154.7 -59.2 136.7 2.7 16.4 -2.9 70 81 A R S S+ 0 0 136 -3,-0.1 8,-2.5 1,-0.1 2,-0.3 0.528 72.3 44.3 -97.1 -6.2 5.7 14.3 -3.9 71 82 A T B S-F 77 0A 75 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.995 74.7-135.1-133.7 142.7 8.0 14.7 -0.8 72 83 A D > - 0 0 22 4,-2.6 3,-1.4 -2,-0.3 -2,-0.1 -0.194 41.7 -90.0 -85.6 179.1 7.0 14.5 2.9 73 84 A K T 3 S+ 0 0 150 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.628 124.9 58.1 -64.7 -10.8 8.2 17.0 5.5 74 85 A Y T 3 S- 0 0 197 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.230 121.5-100.7-107.0 10.3 11.3 14.9 6.2 75 86 A G S < S+ 0 0 53 -3,-1.4 2,-0.4 1,-0.3 -47,-0.3 0.564 75.5 142.0 88.4 6.0 12.6 14.9 2.7 76 87 A R - 0 0 64 -49,-0.1 -4,-2.6 -47,-0.1 -1,-0.3 -0.706 54.2-119.8 -87.6 134.7 11.3 11.4 1.7 77 88 A G E -dF 29 71A 1 -49,-2.4 -47,-3.0 -2,-0.4 2,-0.7 -0.421 25.1-140.4 -64.8 137.5 9.9 10.8 -1.8 78 89 A L E +d 30 0A 8 -8,-2.5 -12,-0.6 -49,-0.2 2,-0.3 -0.901 43.8 129.2-110.0 110.1 6.3 9.7 -1.5 79 90 A A E -dE 31 65A 0 -49,-1.4 -47,-2.5 -2,-0.7 2,-0.5 -0.941 61.2-101.7-148.5 167.2 5.4 6.9 -4.0 80 91 A Y E - E 0 64A 0 -16,-2.7 -16,-2.2 -2,-0.3 2,-0.4 -0.881 42.2-149.5 -86.5 132.2 4.0 3.5 -4.8 81 92 A I E - E 0 63A 2 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.893 11.7-165.5-110.6 134.7 6.9 1.1 -5.2 82 93 A Y E -GE 87 62A 15 -20,-2.8 -20,-2.1 -2,-0.4 2,-0.5 -0.936 12.3-164.0-120.5 143.7 6.7 -1.9 -7.6 83 94 A A E > S-GE 86 61A 6 3,-2.5 3,-1.8 -2,-0.4 -22,-0.2 -0.974 85.7 -18.5-125.8 118.8 8.9 -4.9 -7.9 84 95 A D T 3 S- 0 0 70 -24,-2.8 -23,-0.1 -2,-0.5 -1,-0.1 0.864 129.7 -52.4 47.5 41.7 8.4 -6.8 -11.2 85 96 A G T 3 S+ 0 0 41 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.394 113.9 118.2 83.9 1.7 5.1 -5.0 -11.7 86 97 A K E < -G 83 0A 143 -3,-1.8 -3,-2.5 4,-0.0 2,-0.4 -0.860 67.1-122.2-103.4 131.2 3.8 -6.0 -8.2 87 98 A M E > -G 82 0A 12 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.523 13.2-159.5 -77.9 121.8 3.0 -3.1 -5.8 88 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.8 -2,-0.4 5,-0.2 0.902 92.7 56.3 -60.2 -41.0 4.9 -3.4 -2.5 89 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.927 112.0 41.0 -59.5 -48.8 2.4 -1.1 -0.8 90 101 A E H > S+ 0 0 71 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.893 112.6 55.6 -65.7 -43.2 -0.6 -3.4 -1.7 91 102 A A H X S+ 0 0 24 -4,-2.2 4,-2.0 1,-0.2 6,-0.2 0.920 107.8 49.2 -58.7 -43.4 1.5 -6.6 -0.9 92 103 A L H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 6,-0.8 0.915 113.8 44.8 -61.2 -46.6 2.2 -5.4 2.6 93 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.7 -5,-0.2 -2,-0.2 0.926 112.2 50.9 -65.4 -43.8 -1.4 -4.5 3.3 94 105 A R H 3<5S+ 0 0 90 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.827 109.0 53.7 -66.3 -28.6 -2.8 -7.8 1.8 95 106 A Q T 3<5S- 0 0 85 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.418 115.0-117.6 -78.3 -2.7 -0.2 -9.7 4.0 96 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.4 2,-0.2 -3,-0.2 0.775 85.9 115.8 66.6 27.4 -1.5 -7.9 7.1 97 108 A L S - 0 0 64 3,-0.4 3,-1.7 1,-0.1 -35,-0.1 -0.967 61.0 -31.6-116.5 115.7 -1.5 12.9 2.7 105 116 A K T 3 S- 0 0 105 -2,-0.5 -36,-1.6 1,-0.3 -1,-0.1 0.830 121.3 -44.0 51.8 47.7 -1.8 16.0 0.5 106 117 A G T 3 S+ 0 0 39 -38,-0.2 2,-1.7 1,-0.2 -39,-0.3 0.400 96.7 132.3 85.6 -1.7 -4.0 14.7 -2.3 107 118 A N < + 0 0 0 -3,-1.7 -3,-0.4 1,-0.2 -1,-0.2 -0.561 27.1 120.6 -86.9 76.7 -2.2 11.3 -2.8 108 119 A N > + 0 0 62 -2,-1.7 3,-1.5 -5,-0.1 4,-0.4 0.173 22.1 116.2-121.7 12.2 -5.2 9.0 -2.9 109 120 A T T 3 S+ 0 0 58 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.910 88.6 32.2 -62.7 -40.5 -5.2 7.3 -6.2 110 121 A H T 3> S+ 0 0 34 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.218 86.3 110.5 -99.9 20.0 -4.8 3.7 -4.8 111 122 A E H <> S+ 0 0 48 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.931 79.1 45.3 -61.9 -48.2 -6.7 4.2 -1.6 112 123 A Q H > S+ 0 0 116 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.895 111.9 52.2 -64.2 -39.8 -9.6 2.0 -2.5 113 124 A L H > S+ 0 0 65 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 113.1 45.3 -60.8 -42.6 -7.4 -0.8 -3.8 114 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.895 109.9 53.8 -71.3 -35.8 -5.4 -0.7 -0.6 115 126 A R H X S+ 0 0 89 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.855 107.3 51.6 -64.3 -39.2 -8.5 -0.6 1.6 116 127 A K H X S+ 0 0 141 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.926 109.8 49.4 -64.7 -41.9 -9.9 -3.7 -0.2 117 128 A A H X S+ 0 0 8 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.901 112.0 50.1 -55.3 -45.1 -6.6 -5.5 0.5 118 129 A E H X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.916 106.9 52.5 -64.0 -42.5 -6.8 -4.5 4.2 119 130 A A H X S+ 0 0 55 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.879 111.5 47.8 -63.3 -41.0 -10.4 -5.6 4.6 120 131 A Q H X S+ 0 0 77 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.916 111.4 48.7 -66.3 -44.6 -9.4 -9.1 3.3 121 132 A A H <>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 -2,-0.2 0.898 113.1 50.4 -60.5 -40.3 -6.3 -9.3 5.5 122 133 A K H ><5S+ 0 0 88 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.915 107.7 51.1 -60.8 -47.3 -8.5 -8.3 8.5 123 134 A K H 3<5S+ 0 0 163 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.848 111.0 50.3 -60.5 -31.2 -11.2 -11.0 7.6 124 135 A E T 3<5S- 0 0 85 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.422 105.1-132.3 -87.7 0.7 -8.3 -13.5 7.6 125 136 A K T < 5 + 0 0 150 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.901 45.2 175.3 50.1 41.5 -7.0 -12.3 11.0 126 137 A L > < - 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